logo   logo
logo Search | Help | MolPaint | Roadmap | Credits | Feedback


CHEMBRIDGE-ZINC04980887

 MMsINC code: MMs00818208
Type: Neutral
Formula: C23H33N3O
SMILES:   Oc1cc(N(CC)CC)ccc1CN1CCN(CC1)c1cccc(C)c1C
InChI:   InChI=1/C23H33N3O/c1-5-25(6-2)21-11-10-20(23(27)16-21)17-24-12-14-26(15-13-24)22-9-7-8-18(3)19(22)4/h7-11,16,27H,5-6,12-15,17H2,1-4H3

Download   format file 
Drug Similarity  |  Similarity to PDB ligands  
This browser does not support Java Applets.
Get the latest Java Plug-in here.
download 2D Mol File



download 3D Mol File

Potential Energy
Epot(MMFF94)=162.856 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 367.537 g/mol  logS: -3.98119  SlogP: 4.44384  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0948521  Sterimol/B1: 2.48565  Sterimol/B2: 3.60513  Sterimol/B3: 5.89862
  Sterimol/B4: 6.6167  Sterimol/L: 19.1588 
 
 Surface and Volume Properties
  Accessible surface: 675.72  Positive charged surface: 494.286  Negative charged surface: 181.434  Volume: 395.75
  Hydrophobic surface: 558.911  Hydrophilic surface: 116.809
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs00818209
CHEMBRIDGE-ZINC04980887